CONFLIST HAN        HANBK HAN0W HAN+W HAN0H HAN+H 

NATOM    HANBK      0
NATOM    HAN0W      69
NATOM    HAN+W      69
NATOM    HAN0H      68
NATOM    HAN+H      68

IATOM    HAN0W FE   0
IATOM    HAN0W  CHA 1
IATOM    HAN0W  CHB 2
IATOM    HAN0W  CHC 3
IATOM    HAN0W  CHD 4
IATOM    HAN0W  N A 5
IATOM    HAN0W  C1A 6
IATOM    HAN0W  C2A 7
IATOM    HAN0W  C3A 8
IATOM    HAN0W  C4A 9
IATOM    HAN0W  CMA 10
IATOM    HAN0W  N B 11
IATOM    HAN0W  C1B 12
IATOM    HAN0W  C2B 13
IATOM    HAN0W  C3B 14
IATOM    HAN0W  C4B 15
IATOM    HAN0W  CMB 16
IATOM    HAN0W  CAB 17
IATOM    HAN0W  CBB 18
IATOM    HAN0W  N C 19
IATOM    HAN0W  C1C 20
IATOM    HAN0W  C2C 21
IATOM    HAN0W  C3C 22
IATOM    HAN0W  C4C 23
IATOM    HAN0W  CMC 24
IATOM    HAN0W  CAC 25
IATOM    HAN0W  CBC 26
IATOM    HAN0W  N D 27
IATOM    HAN0W  C1D 28
IATOM    HAN0W  C2D 29
IATOM    HAN0W  C3D 30
IATOM    HAN0W  C4D 31
IATOM    HAN0W  CMD 32
IATOM    HAN0W  HHA 33
IATOM    HAN0W  HHB 34
IATOM    HAN0W  HHC 35
IATOM    HAN0W  HHD 36
IATOM    HAN0W 1HMA 37
IATOM    HAN0W 2HMA 38
IATOM    HAN0W 3HMA 39
IATOM    HAN0W 1HMB 40
IATOM    HAN0W 2HMB 41
IATOM    HAN0W 3HMB 42
IATOM    HAN0W  HAB 43
IATOM    HAN0W 1HBB 44
IATOM    HAN0W 2HBB 45
IATOM    HAN0W 1HMC 46
IATOM    HAN0W 2HMC 47
IATOM    HAN0W 3HMC 48
IATOM    HAN0W  HAC 49
IATOM    HAN0W 1HBC 50
IATOM    HAN0W 2HBC 51
IATOM    HAN0W 1HMD 52
IATOM    HAN0W 2HMD 53
IATOM    HAN0W 3HMD 54
IATOM    HAN0W  CB  55
IATOM    HAN0W 1HB  56
IATOM    HAN0W 2HB  57
IATOM    HAN0W  CG  58
IATOM    HAN0W  ND1 59
IATOM    HAN0W  HD1 60
IATOM    HAN0W  CE1 61
IATOM    HAN0W  HE1 62
IATOM    HAN0W  NE2 63
IATOM    HAN0W  CD2 64
IATOM    HAN0W  HD2 65
IATOM    HAN0W  O   66
IATOM    HAN0W 1H   67
IATOM    HAN0W 2H   68
IATOM    HAN+W FE   0
IATOM    HAN+W  CHA 1
IATOM    HAN+W  CHB 2
IATOM    HAN+W  CHC 3
IATOM    HAN+W  CHD 4
IATOM    HAN+W  N A 5
IATOM    HAN+W  C1A 6
IATOM    HAN+W  C2A 7
IATOM    HAN+W  C3A 8
IATOM    HAN+W  C4A 9
IATOM    HAN+W  CMA 10
IATOM    HAN+W  N B 11
IATOM    HAN+W  C1B 12
IATOM    HAN+W  C2B 13
IATOM    HAN+W  C3B 14
IATOM    HAN+W  C4B 15
IATOM    HAN+W  CMB 16
IATOM    HAN+W  CAB 17
IATOM    HAN+W  CBB 18
IATOM    HAN+W  N C 19
IATOM    HAN+W  C1C 20
IATOM    HAN+W  C2C 21
IATOM    HAN+W  C3C 22
IATOM    HAN+W  C4C 23
IATOM    HAN+W  CMC 24
IATOM    HAN+W  CAC 25
IATOM    HAN+W  CBC 26
IATOM    HAN+W  N D 27
IATOM    HAN+W  C1D 28
IATOM    HAN+W  C2D 29
IATOM    HAN+W  C3D 30
IATOM    HAN+W  C4D 31
IATOM    HAN+W  CMD 32
IATOM    HAN+W  HHA 33
IATOM    HAN+W  HHB 34
IATOM    HAN+W  HHC 35
IATOM    HAN+W  HHD 36
IATOM    HAN+W 1HMA 37
IATOM    HAN+W 2HMA 38
IATOM    HAN+W 3HMA 39
IATOM    HAN+W 1HMB 40
IATOM    HAN+W 2HMB 41
IATOM    HAN+W 3HMB 42
IATOM    HAN+W  HAB 43
IATOM    HAN+W 1HBB 44
IATOM    HAN+W 2HBB 45
IATOM    HAN+W 1HMC 46
IATOM    HAN+W 2HMC 47
IATOM    HAN+W 3HMC 48
IATOM    HAN+W  HAC 49
IATOM    HAN+W 1HBC 50
IATOM    HAN+W 2HBC 51
IATOM    HAN+W 1HMD 52
IATOM    HAN+W 2HMD 53
IATOM    HAN+W 3HMD 54
IATOM    HAN+W  CB  55
IATOM    HAN+W 1HB  56
IATOM    HAN+W 2HB  57
IATOM    HAN+W  CG  58
IATOM    HAN+W  ND1 59
IATOM    HAN+W  HD1 60
IATOM    HAN+W  CE1 61
IATOM    HAN+W  HE1 62
IATOM    HAN+W  NE2 63
IATOM    HAN+W  CD2 64
IATOM    HAN+W  HD2 65
IATOM    HAN+W  O   66
IATOM    HAN+W 1H   67
IATOM    HAN+W 2H   68
IATOM    HAN0H FE   0
IATOM    HAN0H  CHA 1
IATOM    HAN0H  CHB 2
IATOM    HAN0H  CHC 3
IATOM    HAN0H  CHD 4
IATOM    HAN0H  N A 5
IATOM    HAN0H  C1A 6
IATOM    HAN0H  C2A 7
IATOM    HAN0H  C3A 8
IATOM    HAN0H  C4A 9
IATOM    HAN0H  CMA 10
IATOM    HAN0H  N B 11
IATOM    HAN0H  C1B 12
IATOM    HAN0H  C2B 13
IATOM    HAN0H  C3B 14
IATOM    HAN0H  C4B 15
IATOM    HAN0H  CMB 16
IATOM    HAN0H  CAB 17
IATOM    HAN0H  CBB 18
IATOM    HAN0H  N C 19
IATOM    HAN0H  C1C 20
IATOM    HAN0H  C2C 21
IATOM    HAN0H  C3C 22
IATOM    HAN0H  C4C 23
IATOM    HAN0H  CMC 24
IATOM    HAN0H  CAC 25
IATOM    HAN0H  CBC 26
IATOM    HAN0H  N D 27
IATOM    HAN0H  C1D 28
IATOM    HAN0H  C2D 29
IATOM    HAN0H  C3D 30
IATOM    HAN0H  C4D 31
IATOM    HAN0H  CMD 32
IATOM    HAN0H  HHA 33
IATOM    HAN0H  HHB 34
IATOM    HAN0H  HHC 35
IATOM    HAN0H  HHD 36
IATOM    HAN0H 1HMA 37
IATOM    HAN0H 2HMA 38
IATOM    HAN0H 3HMA 39
IATOM    HAN0H 1HMB 40
IATOM    HAN0H 2HMB 41
IATOM    HAN0H 3HMB 42
IATOM    HAN0H  HAB 43
IATOM    HAN0H 1HBB 44
IATOM    HAN0H 2HBB 45
IATOM    HAN0H 1HMC 46
IATOM    HAN0H 2HMC 47
IATOM    HAN0H 3HMC 48
IATOM    HAN0H  HAC 49
IATOM    HAN0H 1HBC 50
IATOM    HAN0H 2HBC 51
IATOM    HAN0H 1HMD 52
IATOM    HAN0H 2HMD 53
IATOM    HAN0H 3HMD 54
IATOM    HAN0H  CB  55
IATOM    HAN0H 1HB  56
IATOM    HAN0H 2HB  57
IATOM    HAN0H  CG  58
IATOM    HAN0H  ND1 59
IATOM    HAN0H  HD1 60
IATOM    HAN0H  CE1 61
IATOM    HAN0H  HE1 62
IATOM    HAN0H  NE2 63
IATOM    HAN0H  CD2 64
IATOM    HAN0H  HD2 65
IATOM    HAN0H  O   66
IATOM    HAN0H  H   67
IATOM    HAN+H FE   0
IATOM    HAN+H  CHA 1
IATOM    HAN+H  CHB 2
IATOM    HAN+H  CHC 3
IATOM    HAN+H  CHD 4
IATOM    HAN+H  N A 5
IATOM    HAN+H  C1A 6
IATOM    HAN+H  C2A 7
IATOM    HAN+H  C3A 8
IATOM    HAN+H  C4A 9
IATOM    HAN+H  CMA 10
IATOM    HAN+H  N B 11
IATOM    HAN+H  C1B 12
IATOM    HAN+H  C2B 13
IATOM    HAN+H  C3B 14
IATOM    HAN+H  C4B 15
IATOM    HAN+H  CMB 16
IATOM    HAN+H  CAB 17
IATOM    HAN+H  CBB 18
IATOM    HAN+H  N C 19
IATOM    HAN+H  C1C 20
IATOM    HAN+H  C2C 21
IATOM    HAN+H  C3C 22
IATOM    HAN+H  C4C 23
IATOM    HAN+H  CMC 24
IATOM    HAN+H  CAC 25
IATOM    HAN+H  CBC 26
IATOM    HAN+H  N D 27
IATOM    HAN+H  C1D 28
IATOM    HAN+H  C2D 29
IATOM    HAN+H  C3D 30
IATOM    HAN+H  C4D 31
IATOM    HAN+H  CMD 32
IATOM    HAN+H  HHA 33
IATOM    HAN+H  HHB 34
IATOM    HAN+H  HHC 35
IATOM    HAN+H  HHD 36
IATOM    HAN+H 1HMA 37
IATOM    HAN+H 2HMA 38
IATOM    HAN+H 3HMA 39
IATOM    HAN+H 1HMB 40
IATOM    HAN+H 2HMB 41
IATOM    HAN+H 3HMB 42
IATOM    HAN+H  HAB 43
IATOM    HAN+H 1HBB 44
IATOM    HAN+H 2HBB 45
IATOM    HAN+H 1HMC 46
IATOM    HAN+H 2HMC 47
IATOM    HAN+H 3HMC 48
IATOM    HAN+H  HAC 49
IATOM    HAN+H 1HBC 50
IATOM    HAN+H 2HBC 51
IATOM    HAN+H 1HMD 52
IATOM    HAN+H 2HMD 53
IATOM    HAN+H 3HMD 54
IATOM    HAN+H  CB  55
IATOM    HAN+H 1HB  56
IATOM    HAN+H 2HB  57
IATOM    HAN+H  CG  58
IATOM    HAN+H  ND1 59
IATOM    HAN+H  HD1 60
IATOM    HAN+H  CE1 61
IATOM    HAN+H  HE1 62
IATOM    HAN+H  NE2 63
IATOM    HAN+H  CD2 64
IATOM    HAN+H  HD2 65
IATOM    HAN+H  O   66
IATOM    HAN+H  H   67

ATOMNAME HAN0W    0 FE  
ATOMNAME HAN0W    1  CHA
ATOMNAME HAN0W    2  CHB
ATOMNAME HAN0W    3  CHC
ATOMNAME HAN0W    4  CHD
ATOMNAME HAN0W    5  N A
ATOMNAME HAN0W    6  C1A
ATOMNAME HAN0W    7  C2A
ATOMNAME HAN0W    8  C3A
ATOMNAME HAN0W    9  C4A
ATOMNAME HAN0W   10  CMA
ATOMNAME HAN0W   11  N B
ATOMNAME HAN0W   12  C1B
ATOMNAME HAN0W   13  C2B
ATOMNAME HAN0W   14  C3B
ATOMNAME HAN0W   15  C4B
ATOMNAME HAN0W   16  CMB
ATOMNAME HAN0W   17  CAB
ATOMNAME HAN0W   18  CBB
ATOMNAME HAN0W   19  N C
ATOMNAME HAN0W   20  C1C
ATOMNAME HAN0W   21  C2C
ATOMNAME HAN0W   22  C3C
ATOMNAME HAN0W   23  C4C
ATOMNAME HAN0W   24  CMC
ATOMNAME HAN0W   25  CAC
ATOMNAME HAN0W   26  CBC
ATOMNAME HAN0W   27  N D
ATOMNAME HAN0W   28  C1D
ATOMNAME HAN0W   29  C2D
ATOMNAME HAN0W   30  C3D
ATOMNAME HAN0W   31  C4D
ATOMNAME HAN0W   32  CMD
ATOMNAME HAN0W   33  HHA
ATOMNAME HAN0W   34  HHB
ATOMNAME HAN0W   35  HHC
ATOMNAME HAN0W   36  HHD
ATOMNAME HAN0W   37 1HMA
ATOMNAME HAN0W   38 2HMA
ATOMNAME HAN0W   39 3HMA
ATOMNAME HAN0W   40 1HMB
ATOMNAME HAN0W   41 2HMB
ATOMNAME HAN0W   42 3HMB
ATOMNAME HAN0W   43  HAB
ATOMNAME HAN0W   44 1HBB
ATOMNAME HAN0W   45 2HBB
ATOMNAME HAN0W   46 1HMC
ATOMNAME HAN0W   47 2HMC
ATOMNAME HAN0W   48 3HMC
ATOMNAME HAN0W   49  HAC
ATOMNAME HAN0W   50 1HBC
ATOMNAME HAN0W   51 2HBC
ATOMNAME HAN0W   52 1HMD
ATOMNAME HAN0W   53 2HMD
ATOMNAME HAN0W   54 3HMD
ATOMNAME HAN0W   55  CB 
ATOMNAME HAN0W   56 1HB 
ATOMNAME HAN0W   57 2HB 
ATOMNAME HAN0W   58  CG 
ATOMNAME HAN0W   59  ND1
ATOMNAME HAN0W   60  HD1
ATOMNAME HAN0W   61  CE1
ATOMNAME HAN0W   62  HE1
ATOMNAME HAN0W   63  NE2
ATOMNAME HAN0W   64  CD2
ATOMNAME HAN0W   65  HD2
ATOMNAME HAN0W   66  O  
ATOMNAME HAN0W   67 1H  
ATOMNAME HAN0W   68 2H  
ATOMNAME HAN+W    0 FE  
ATOMNAME HAN+W    1  CHA
ATOMNAME HAN+W    2  CHB
ATOMNAME HAN+W    3  CHC
ATOMNAME HAN+W    4  CHD
ATOMNAME HAN+W    5  N A
ATOMNAME HAN+W    6  C1A
ATOMNAME HAN+W    7  C2A
ATOMNAME HAN+W    8  C3A
ATOMNAME HAN+W    9  C4A
ATOMNAME HAN+W   10  CMA
ATOMNAME HAN+W   11  N B
ATOMNAME HAN+W   12  C1B
ATOMNAME HAN+W   13  C2B
ATOMNAME HAN+W   14  C3B
ATOMNAME HAN+W   15  C4B
ATOMNAME HAN+W   16  CMB
ATOMNAME HAN+W   17  CAB
ATOMNAME HAN+W   18  CBB
ATOMNAME HAN+W   19  N C
ATOMNAME HAN+W   20  C1C
ATOMNAME HAN+W   21  C2C
ATOMNAME HAN+W   22  C3C
ATOMNAME HAN+W   23  C4C
ATOMNAME HAN+W   24  CMC
ATOMNAME HAN+W   25  CAC
ATOMNAME HAN+W   26  CBC
ATOMNAME HAN+W   27  N D
ATOMNAME HAN+W   28  C1D
ATOMNAME HAN+W   29  C2D
ATOMNAME HAN+W   30  C3D
ATOMNAME HAN+W   31  C4D
ATOMNAME HAN+W   32  CMD
ATOMNAME HAN+W   33  HHA
ATOMNAME HAN+W   34  HHB
ATOMNAME HAN+W   35  HHC
ATOMNAME HAN+W   36  HHD
ATOMNAME HAN+W   37 1HMA
ATOMNAME HAN+W   38 2HMA
ATOMNAME HAN+W   39 3HMA
ATOMNAME HAN+W   40 1HMB
ATOMNAME HAN+W   41 2HMB
ATOMNAME HAN+W   42 3HMB
ATOMNAME HAN+W   43  HAB
ATOMNAME HAN+W   44 1HBB
ATOMNAME HAN+W   45 2HBB
ATOMNAME HAN+W   46 1HMC
ATOMNAME HAN+W   47 2HMC
ATOMNAME HAN+W   48 3HMC
ATOMNAME HAN+W   49  HAC
ATOMNAME HAN+W   50 1HBC
ATOMNAME HAN+W   51 2HBC
ATOMNAME HAN+W   52 1HMD
ATOMNAME HAN+W   53 2HMD
ATOMNAME HAN+W   54 3HMD
ATOMNAME HAN+W   55  CB 
ATOMNAME HAN+W   56 1HB 
ATOMNAME HAN+W   57 2HB 
ATOMNAME HAN+W   58  CG 
ATOMNAME HAN+W   59  ND1
ATOMNAME HAN+W   60  HD1
ATOMNAME HAN+W   61  CE1
ATOMNAME HAN+W   62  HE1
ATOMNAME HAN+W   63  NE2
ATOMNAME HAN+W   64  CD2
ATOMNAME HAN+W   65  HD2
ATOMNAME HAN+W   66  O  
ATOMNAME HAN+W   67 1H  
ATOMNAME HAN+W   68 2H  
ATOMNAME HAN0H    0 FE  
ATOMNAME HAN0H    1  CHA
ATOMNAME HAN0H    2  CHB
ATOMNAME HAN0H    3  CHC
ATOMNAME HAN0H    4  CHD
ATOMNAME HAN0H    5  N A
ATOMNAME HAN0H    6  C1A
ATOMNAME HAN0H    7  C2A
ATOMNAME HAN0H    8  C3A
ATOMNAME HAN0H    9  C4A
ATOMNAME HAN0H   10  CMA
ATOMNAME HAN0H   11  N B
ATOMNAME HAN0H   12  C1B
ATOMNAME HAN0H   13  C2B
ATOMNAME HAN0H   14  C3B
ATOMNAME HAN0H   15  C4B
ATOMNAME HAN0H   16  CMB
ATOMNAME HAN0H   17  CAB
ATOMNAME HAN0H   18  CBB
ATOMNAME HAN0H   19  N C
ATOMNAME HAN0H   20  C1C
ATOMNAME HAN0H   21  C2C
ATOMNAME HAN0H   22  C3C
ATOMNAME HAN0H   23  C4C
ATOMNAME HAN0H   24  CMC
ATOMNAME HAN0H   25  CAC
ATOMNAME HAN0H   26  CBC
ATOMNAME HAN0H   27  N D
ATOMNAME HAN0H   28  C1D
ATOMNAME HAN0H   29  C2D
ATOMNAME HAN0H   30  C3D
ATOMNAME HAN0H   31  C4D
ATOMNAME HAN0H   32  CMD
ATOMNAME HAN0H   33  HHA
ATOMNAME HAN0H   34  HHB
ATOMNAME HAN0H   35  HHC
ATOMNAME HAN0H   36  HHD
ATOMNAME HAN0H   37 1HMA
ATOMNAME HAN0H   38 2HMA
ATOMNAME HAN0H   39 3HMA
ATOMNAME HAN0H   40 1HMB
ATOMNAME HAN0H   41 2HMB
ATOMNAME HAN0H   42 3HMB
ATOMNAME HAN0H   43  HAB
ATOMNAME HAN0H   44 1HBB
ATOMNAME HAN0H   45 2HBB
ATOMNAME HAN0H   46 1HMC
ATOMNAME HAN0H   47 2HMC
ATOMNAME HAN0H   48 3HMC
ATOMNAME HAN0H   49  HAC
ATOMNAME HAN0H   50 1HBC
ATOMNAME HAN0H   51 2HBC
ATOMNAME HAN0H   52 1HMD
ATOMNAME HAN0H   53 2HMD
ATOMNAME HAN0H   54 3HMD
ATOMNAME HAN0H   55  CB 
ATOMNAME HAN0H   56 1HB 
ATOMNAME HAN0H   57 2HB 
ATOMNAME HAN0H   58  CG 
ATOMNAME HAN0H   59  ND1
ATOMNAME HAN0H   60  HD1
ATOMNAME HAN0H   61  CE1
ATOMNAME HAN0H   62  HE1
ATOMNAME HAN0H   63  NE2
ATOMNAME HAN0H   64  CD2
ATOMNAME HAN0H   65  HD2
ATOMNAME HAN0H   66  O  
ATOMNAME HAN0H   67  H  
ATOMNAME HAN+H    0 FE  
ATOMNAME HAN+H    1  CHA
ATOMNAME HAN+H    2  CHB
ATOMNAME HAN+H    3  CHC
ATOMNAME HAN+H    4  CHD
ATOMNAME HAN+H    5  N A
ATOMNAME HAN+H    6  C1A
ATOMNAME HAN+H    7  C2A
ATOMNAME HAN+H    8  C3A
ATOMNAME HAN+H    9  C4A
ATOMNAME HAN+H   10  CMA
ATOMNAME HAN+H   11  N B
ATOMNAME HAN+H   12  C1B
ATOMNAME HAN+H   13  C2B
ATOMNAME HAN+H   14  C3B
ATOMNAME HAN+H   15  C4B
ATOMNAME HAN+H   16  CMB
ATOMNAME HAN+H   17  CAB
ATOMNAME HAN+H   18  CBB
ATOMNAME HAN+H   19  N C
ATOMNAME HAN+H   20  C1C
ATOMNAME HAN+H   21  C2C
ATOMNAME HAN+H   22  C3C
ATOMNAME HAN+H   23  C4C
ATOMNAME HAN+H   24  CMC
ATOMNAME HAN+H   25  CAC
ATOMNAME HAN+H   26  CBC
ATOMNAME HAN+H   27  N D
ATOMNAME HAN+H   28  C1D
ATOMNAME HAN+H   29  C2D
ATOMNAME HAN+H   30  C3D
ATOMNAME HAN+H   31  C4D
ATOMNAME HAN+H   32  CMD
ATOMNAME HAN+H   33  HHA
ATOMNAME HAN+H   34  HHB
ATOMNAME HAN+H   35  HHC
ATOMNAME HAN+H   36  HHD
ATOMNAME HAN+H   37 1HMA
ATOMNAME HAN+H   38 2HMA
ATOMNAME HAN+H   39 3HMA
ATOMNAME HAN+H   40 1HMB
ATOMNAME HAN+H   41 2HMB
ATOMNAME HAN+H   42 3HMB
ATOMNAME HAN+H   43  HAB
ATOMNAME HAN+H   44 1HBB
ATOMNAME HAN+H   45 2HBB
ATOMNAME HAN+H   46 1HMC
ATOMNAME HAN+H   47 2HMC
ATOMNAME HAN+H   48 3HMC
ATOMNAME HAN+H   49  HAC
ATOMNAME HAN+H   50 1HBC
ATOMNAME HAN+H   51 2HBC
ATOMNAME HAN+H   52 1HMD
ATOMNAME HAN+H   53 2HMD
ATOMNAME HAN+H   54 3HMD
ATOMNAME HAN+H   55  CB 
ATOMNAME HAN+H   56 1HB 
ATOMNAME HAN+H   57 2HB 
ATOMNAME HAN+H   58  CG 
ATOMNAME HAN+H   59  ND1
ATOMNAME HAN+H   60  HD1
ATOMNAME HAN+H   61  CE1
ATOMNAME HAN+H   62  HE1
ATOMNAME HAN+H   63  NE2
ATOMNAME HAN+H   64  CD2
ATOMNAME HAN+H   65  HD2
ATOMNAME HAN+H   66  O  
ATOMNAME HAN+H   67  H  


































#This is and old heme a parameter with no ligand
#1.Basic Conformer Information: name, pka, em, rxn.

#23456789A123456789B123456789C
PROTON   HAN0W      0
PKA      HAN0W      0.0
ELECTRON HAN0W      0 
EM       HAN0W      0.0
RXN      HAN0W      -4.00
#RXN      HAN0W      -2.243

PROTON   HAN+W      0  
PKA      HAN+W      0.0
ELECTRON HAN+W      -1
EM       HAN+W      -120.
RXN      HAN+W      -15.00 
#RXN      HAN+W      -15.243
#RXN      HAN+W      -9.953

PROTON   HAN0H      -1
PKA      HAN0H      10.9 
ELECTRON HAN0H      0
EM       HAN0H      0.0
RXN      HAN0H      -21.482
#RXN      HAN0H      -13.025

PROTON   HAN+H      -1
PKA      HAN+H      10.9
ELECTRON HAN+H      -1
EM       HAN+H      -200.
RXN      HAN+H      -8.041 
#RXN      HAN+H      -3.850 

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G


#3.Atom Parameters: Partial Charges and Radii
# Radii(vdw) were collected from http://www.webelements.com/
RADIUS   HAN   FE   1.60
RADIUS   HAN    CHA 1.70
RADIUS   HAN    CHB 1.70
RADIUS   HAN    CHC 1.70
RADIUS   HAN    CHD 1.70
RADIUS   HAN    N A 1.55
RADIUS   HAN    C1A 1.70
RADIUS   HAN    C2A 1.70
RADIUS   HAN    C3A 1.70
RADIUS   HAN    C4A 1.70
RADIUS   HAN    CMA 1.70
RADIUS   HAN    N B 1.55
RADIUS   HAN    C1B 1.70
RADIUS   HAN    C2B 1.70
RADIUS   HAN    C3B 1.70
RADIUS   HAN    C4B 1.70
RADIUS   HAN    CMB 1.70
RADIUS   HAN    N C 1.55
RADIUS   HAN    C1C 1.70
RADIUS   HAN    C2C 1.70
RADIUS   HAN    C3C 1.70
RADIUS   HAN    C4C 1.70
RADIUS   HAN    CMC 1.70
RADIUS   HAN    CAC 1.70
RADIUS   HAN    CBC 1.70
RADIUS   HAN    N D 1.55
RADIUS   HAN    C1D 1.70
RADIUS   HAN    C2D 1.70
RADIUS   HAN    C3D 1.70
RADIUS   HAN    C4D 1.70
RADIUS   HAN    CMD 1.70
RADIUS   HAN    HHA 1.20
RADIUS   HAN    HHB 1.20
RADIUS   HAN    HHC 1.20
RADIUS   HAN    HHD 1.20
RADIUS   HAN   1HMA 1.20
RADIUS   HAN   2HMA 1.20
RADIUS   HAN   3HMA 1.20
RADIUS   HAN   1HMB 1.20
RADIUS   HAN   2HMB 1.20
RADIUS   HAN   3HMB 1.20
RADIUS   HAN   1HMC 1.20
RADIUS   HAN   2HMC 1.20
RADIUS   HAN   3HMC 1.20
RADIUS   HAN    HAC 1.20
RADIUS   HAN   1HBC 1.20
RADIUS   HAN   2HBC 1.20
RADIUS   HAN   1HMD 1.20
RADIUS   HAN   2HMD 1.20
RADIUS   HAN   3HMD 1.20
RADIUS   HAN    CB  2.00
RADIUS   HAN   1HB  0.00
RADIUS   HAN   2HB  0.00
RADIUS   HAN    CG  1.70
RADIUS   HAN    ND1 1.50
RADIUS   HAN    HD1 1.00
RADIUS   HAN    CE1 1.70
RADIUS   HAN    HE1 1.00
RADIUS   HAN    NE2 1.50
RADIUS   HAN    HE2 1.00
RADIUS   HAN    CD2 1.70
RADIUS   HAN    HD2 1.00
RADIUS   HAN    O   1.60
RADIUS   HAN    H   1.00
RADIUS   HAN   1H   1.00
RADIUS   HAN   2H   1.00
RADIUS   HAN    HAB 1.00
RADIUS   HAN   1HBB 1.00
RADIUS   HAN   2HBB 1.00
RADIUS   HAN   3HBB 1.00


#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn 
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  HAN0W FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O
CONNECT  HAN0W  CHA sp2       0     C1A 0     C4D 0     HHA
CONNECT  HAN0W  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  HAN0W  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  HAN0W  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  HAN0W  N A sp2       0    FE   0     C1A 0     C4A
CONNECT  HAN0W  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  HAN0W  C2A sp2       0     C1A 0     C3A +1    CAA
CONNECT  HAN0W  C3A sp2       0     C2A 0     C4A 0     CMA
CONNECT  HAN0W  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  HAN0W  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  HAN0W  N B sp2       0    FE   0     C1B 0     C4B
CONNECT  HAN0W  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  HAN0W  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  HAN0W  C3B sp2       0     C2B    0  C4B    0  CAB 
CONNECT  HAN0W  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  HAN0W  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  HAN0W  CAB sp2       0     C3B    0  CBB    0  HAB 
CONNECT  HAN0W  CBB sp2       0     CAB    0 1HBB    0 2HBB
CONNECT  HAN0W  N C sp2       0    FE   0     C1C 0     C4C
CONNECT  HAN0W  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  HAN0W  C2C sp2       0     C1C 0     C3C 0     CMC
CONNECT  HAN0W  C3C sp2       0     C2C 0     C4C 0     CAC
CONNECT  HAN0W  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  HAN0W  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  HAN0W  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  HAN0W  CBC sp2       0     CAC 0    1HBC 0    2HBC
CONNECT  HAN0W  N D sp2       0    FE   0     C1D 0     C4D
CONNECT  HAN0W  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  HAN0W  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  HAN0W  C3D sp2       0     C2D 0     C4D +2    CAD
CONNECT  HAN0W  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  HAN0W  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  HAN0W  HHA s         0     CHA
CONNECT  HAN0W  HHB s         0     CHB
CONNECT  HAN0W  HHC s         0     CHC
CONNECT  HAN0W  HHD s         0     CHD
CONNECT  HAN0W 1HMA s         0     CMA
CONNECT  HAN0W 2HMA s         0     CMA
CONNECT  HAN0W 3HMA s         0     CMA
CONNECT  HAN0W 1HMB s         0     CMB
CONNECT  HAN0W 2HMB s         0     CMB
CONNECT  HAN0W 3HMB s         0     CMB
CONNECT  HAN0W  HAB         s    0  CAB 
CONNECT  HAN0W 1HBB         s    0  CBB 
CONNECT  HAN0W 2HBB         s    0  CBB 
CONNECT  HAN0W 1HMC s         0     CMC
CONNECT  HAN0W 2HMC s         0     CMC
CONNECT  HAN0W 3HMC s         0     CMC
CONNECT  HAN0W  HAC s         0     CAC
CONNECT  HAN0W 1HBC s         0     CBC
CONNECT  HAN0W 2HBC s         0     CBC
CONNECT  HAN0W 1HMD s         0     CMD
CONNECT  HAN0W 2HMD s         0     CMD
CONNECT  HAN0W 3HMD s         0     CMD
CONNECT  HAN0W  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB
CONNECT  HAN0W 1HB  s         0     CB
CONNECT  HAN0W 2HB  s         0     CB
CONNECT  HAN0W  CG  sp2       0     CB  0     ND1 0     CD2
CONNECT  HAN0W  ND1 sp2       0     CG  0     CE1 0     HD1
CONNECT  HAN0W  HD1 s         0     ND1
CONNECT  HAN0W  CE1 sp2       0     ND1 0     NE2 0     HE1
CONNECT  HAN0W  HE1 s         0     CE1
CONNECT  HAN0W  NE2 sp2       0    FE   0     CE1 0     CD2
CONNECT  HAN0W  CD2 sp2       0     NE2 0     CG  0     HD2
CONNECT  HAN0W  HD2 s         0     CD2
CONNECT  HAN0W  O   sp3       0    FE   0    1H   0    2H
CONNECT  HAN0W 1H   s         0     O
CONNECT  HAN0W 2H   s         0     O

CONNECT  HAN+W FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O
CONNECT  HAN+W  CHA sp2       0     C1A 0     C4D 0     HHA
CONNECT  HAN+W  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  HAN+W  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  HAN+W  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  HAN+W  N A sp2       0    FE   0     C1A 0     C4A
CONNECT  HAN+W  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  HAN+W  C2A sp2       0     C1A 0     C3A +1    CAA
CONNECT  HAN+W  C3A sp2       0     C2A 0     C4A 0     CMA
CONNECT  HAN+W  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  HAN+W  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  HAN+W  N B sp2       0    FE   0     C1B 0     C4B
CONNECT  HAN+W  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  HAN+W  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  HAN+W  C3B sp2       0     C2B    0  C4B    0  CAB 
CONNECT  HAN+W  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  HAN+W  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  HAN+W  CAB sp2       0     C3B    0  CBB    0  HAB 
CONNECT  HAN+W  CBB sp2       0     CAB    0 1HBB    0 2HBB
CONNECT  HAN+W  N C sp2       0    FE   0     C1C 0     C4C
CONNECT  HAN+W  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  HAN+W  C2C sp2       0     C1C 0     C3C 0     CMC
CONNECT  HAN+W  C3C sp2       0     C2C 0     C4C 0     CAC
CONNECT  HAN+W  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  HAN+W  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  HAN+W  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  HAN+W  CBC sp2       0     CAC 0    1HBC 0    2HBC
CONNECT  HAN+W  N D sp2       0    FE   0     C1D 0     C4D
CONNECT  HAN+W  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  HAN+W  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  HAN+W  C3D sp2       0     C2D 0     C4D +2    CAD
CONNECT  HAN+W  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  HAN+W  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  HAN+W  HHA s         0     CHA
CONNECT  HAN+W  HHB s         0     CHB
CONNECT  HAN+W  HHC s         0     CHC
CONNECT  HAN+W  HHD s         0     CHD
CONNECT  HAN+W 1HMA s         0     CMA
CONNECT  HAN+W 2HMA s         0     CMA
CONNECT  HAN+W 3HMA s         0     CMA
CONNECT  HAN+W 1HMB s         0     CMB
CONNECT  HAN+W 2HMB s         0     CMB
CONNECT  HAN+W 3HMB s         0     CMB
CONNECT  HAN+W  HAB         s    0  CAB 
CONNECT  HAN+W 1HBB         s    0  CBB 
CONNECT  HAN+W 2HBB         s    0  CBB 
CONNECT  HAN+W 1HMC s         0     CMC
CONNECT  HAN+W 2HMC s         0     CMC
CONNECT  HAN+W 3HMC s         0     CMC
CONNECT  HAN+W  HAC s         0     CAC
CONNECT  HAN+W 1HBC s         0     CBC
CONNECT  HAN+W 2HBC s         0     CBC
CONNECT  HAN+W 1HMD s         0     CMD
CONNECT  HAN+W 2HMD s         0     CMD
CONNECT  HAN+W 3HMD s         0     CMD
CONNECT  HAN+W  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB
CONNECT  HAN+W 1HB  s         0     CB
CONNECT  HAN+W 2HB  s         0     CB
CONNECT  HAN+W  CG  sp2       0     CB  0     ND1 0     CD2
CONNECT  HAN+W  ND1 sp2       0     CG  0     CE1 0     HD1
CONNECT  HAN+W  HD1 s         0     ND1
CONNECT  HAN+W  CE1 sp2       0     ND1 0     NE2 0     HE1
CONNECT  HAN+W  HE1 s         0     CE1
CONNECT  HAN+W  NE2 sp2       0    FE   0     CE1 0     CD2
CONNECT  HAN+W  CD2 sp2       0     NE2 0     CG  0     HD2
CONNECT  HAN+W  HD2 s         0     CD2
CONNECT  HAN+W  O   sp3       0    FE   0    1H   0    2H
CONNECT  HAN+W 1H   s         0     O
CONNECT  HAN+W 2H   s         0     O


#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn 
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  HAN0H FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O
CONNECT  HAN0H  CHA sp2       0     C1A 0     C4D 0     HHA
CONNECT  HAN0H  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  HAN0H  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  HAN0H  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  HAN0H  N A sp2       0    FE   0     C1A 0     C4A
CONNECT  HAN0H  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  HAN0H  C2A sp2       0     C1A 0     C3A +1    CAA
CONNECT  HAN0H  C3A sp2       0     C2A 0     C4A 0     CMA
CONNECT  HAN0H  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  HAN0H  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  HAN0H  N B sp2       0    FE   0     C1B 0     C4B
CONNECT  HAN0H  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  HAN0H  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  HAN0H  C3B sp2       0     C2B    0  C4B    0  CAB 
CONNECT  HAN0H  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  HAN0H  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  HAN0H  CAB sp2       0     C3B    0  CBB    0  HAB 
CONNECT  HAN0H  CBB sp2       0     CAB    0 1HBB    0 2HBB
CONNECT  HAN0H  N C sp2       0    FE   0     C1C 0     C4C
CONNECT  HAN0H  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  HAN0H  C2C sp2       0     C1C 0     C3C 0     CMC
CONNECT  HAN0H  C3C sp2       0     C2C 0     C4C 0     CAC
CONNECT  HAN0H  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  HAN0H  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  HAN0H  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  HAN0H  CBC sp2       0     CAC 0    1HBC 0    2HBC
CONNECT  HAN0H  N D sp2       0    FE   0     C1D 0     C4D
CONNECT  HAN0H  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  HAN0H  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  HAN0H  C3D sp2       0     C2D 0     C4D +2    CAD
CONNECT  HAN0H  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  HAN0H  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  HAN0H  HHA s         0     CHA
CONNECT  HAN0H  HHB s         0     CHB
CONNECT  HAN0H  HHC s         0     CHC
CONNECT  HAN0H  HHD s         0     CHD
CONNECT  HAN0H 1HMA s         0     CMA
CONNECT  HAN0H 2HMA s         0     CMA
CONNECT  HAN0H 3HMA s         0     CMA
CONNECT  HAN0H 1HMB s         0     CMB
CONNECT  HAN0H 2HMB s         0     CMB
CONNECT  HAN0H 3HMB s         0     CMB
CONNECT  HAN0H  HAB         s    0  CAB 
CONNECT  HAN0H 1HBB         s    0  CBB 
CONNECT  HAN0H 2HBB         s    0  CBB 
CONNECT  HAN0H 1HMC s         0     CMC
CONNECT  HAN0H 2HMC s         0     CMC
CONNECT  HAN0H 3HMC s         0     CMC
CONNECT  HAN0H  HAC s         0     CAC
CONNECT  HAN0H 1HBC s         0     CBC
CONNECT  HAN0H 2HBC s         0     CBC
CONNECT  HAN0H 1HMD s         0     CMD
CONNECT  HAN0H 2HMD s         0     CMD
CONNECT  HAN0H 3HMD s         0     CMD
CONNECT  HAN0H  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB
CONNECT  HAN0H 1HB  s         0     CB
CONNECT  HAN0H 2HB  s         0     CB
CONNECT  HAN0H  CG  sp2       0     CB  0     ND1 0     CD2
CONNECT  HAN0H  ND1 sp2       0     CG  0     CE1 0     HD1
CONNECT  HAN0H  HD1 s         0     ND1
CONNECT  HAN0H  CE1 sp2       0     ND1 0     NE2 0     HE1
CONNECT  HAN0H  HE1 s         0     CE1
CONNECT  HAN0H  NE2 sp2       0    FE   0     CE1 0     CD2
CONNECT  HAN0H  CD2 sp2       0     NE2 0     CG  0     HD2
CONNECT  HAN0H  HD2 s         0     CD2
CONNECT  HAN0H  O   sp3       0    FE   0     H 
CONNECT  HAN0H  H   s         0     O

CONNECT  HAN+H FE   sp3d2     0     N A 0     N B 0     N C 0     N D 0     NE2 0     O
CONNECT  HAN+H  CHA sp2       0     C1A 0     C4D 0     HHA
CONNECT  HAN+H  CHB sp2       0     C4A 0     C1B 0     HHB
CONNECT  HAN+H  CHC sp2       0     C4B 0     C1C 0     HHC
CONNECT  HAN+H  CHD sp2       0     C4C 0     C1D 0     HHD
CONNECT  HAN+H  N A sp2       0    FE   0     C1A 0     C4A
CONNECT  HAN+H  C1A sp2       0     CHA 0     N A 0     C2A
CONNECT  HAN+H  C2A sp2       0     C1A 0     C3A +1    CAA
CONNECT  HAN+H  C3A sp2       0     C2A 0     C4A 0     CMA
CONNECT  HAN+H  C4A sp2       0     CHB 0     N A 0     C3A
CONNECT  HAN+H  CMA sp3       0     C3A 0    1HMA 0    2HMA 0    3HMA
CONNECT  HAN+H  N B sp2       0    FE   0     C1B 0     C4B
CONNECT  HAN+H  C1B sp2       0     CHB 0     N B 0     C2B
CONNECT  HAN+H  C2B sp2       0     C1B 0     C3B 0     CMB
CONNECT  HAN+H  C3B sp2       0     C2B    0  C4B    0  CAB 
CONNECT  HAN+H  C4B sp2       0     CHC 0     N B 0     C3B
CONNECT  HAN+H  CMB sp3       0     C2B 0    1HMB 0    2HMB 0    3HMB
CONNECT  HAN+H  CAB sp2       0     C3B    0  CBB    0  HAB 
CONNECT  HAN+H  CBB sp2       0     CAB    0 1HBB    0 2HBB
CONNECT  HAN+H  N C sp2       0    FE   0     C1C 0     C4C
CONNECT  HAN+H  C1C sp2       0     CHC 0     N C 0     C2C
CONNECT  HAN+H  C2C sp2       0     C1C 0     C3C 0     CMC
CONNECT  HAN+H  C3C sp2       0     C2C 0     C4C 0     CAC
CONNECT  HAN+H  C4C sp2       0     CHD 0     N C 0     C3C
CONNECT  HAN+H  CMC sp3       0     C2C 0    1HMC 0    2HMC 0    3HMC
CONNECT  HAN+H  CAC sp2       0     C3C 0     CBC 0     HAC
CONNECT  HAN+H  CBC sp2       0     CAC 0    1HBC 0    2HBC
CONNECT  HAN+H  N D sp2       0    FE   0     C1D 0     C4D
CONNECT  HAN+H  C1D sp2       0     CHD 0     N D 0     C2D
CONNECT  HAN+H  C2D sp2       0     C1D 0     C3D 0     CMD
CONNECT  HAN+H  C3D sp2       0     C2D 0     C4D +2    CAD
CONNECT  HAN+H  C4D sp2       0     CHA 0     N D 0     C3D
CONNECT  HAN+H  CMD sp3       0     C2D 0    1HMD 0    2HMD 0    3HMD
CONNECT  HAN+H  HHA s         0     CHA
CONNECT  HAN+H  HHB s         0     CHB
CONNECT  HAN+H  HHC s         0     CHC
CONNECT  HAN+H  HHD s         0     CHD
CONNECT  HAN+H 1HMA s         0     CMA
CONNECT  HAN+H 2HMA s         0     CMA
CONNECT  HAN+H 3HMA s         0     CMA
CONNECT  HAN+H 1HMB s         0     CMB
CONNECT  HAN+H 2HMB s         0     CMB
CONNECT  HAN+H 3HMB s         0     CMB
CONNECT  HAN+H  HAB         s    0  CAB 
CONNECT  HAN+H 1HBB         s    0  CBB 
CONNECT  HAN+H 2HBB         s    0  CBB 
CONNECT  HAN+H 1HMC s         0     CMC
CONNECT  HAN+H 2HMC s         0     CMC
CONNECT  HAN+H 3HMC s         0     CMC
CONNECT  HAN+H  HAC s         0     CAC
CONNECT  HAN+H 1HBC s         0     CBC
CONNECT  HAN+H 2HBC s         0     CBC
CONNECT  HAN+H 1HMD s         0     CMD
CONNECT  HAN+H 2HMD s         0     CMD
CONNECT  HAN+H 3HMD s         0     CMD
CONNECT  HAN+H  CB  sp3       LIG   CA  0     CG  0    1HB  0    2HB
CONNECT  HAN+H 1HB  s         0     CB
CONNECT  HAN+H 2HB  s         0     CB
CONNECT  HAN+H  CG  sp2       0     CB  0     ND1 0     CD2
CONNECT  HAN+H  ND1 sp2       0     CG  0     CE1 0     HD1
CONNECT  HAN+H  HD1 s         0     ND1
CONNECT  HAN+H  CE1 sp2       0     ND1 0     NE2 0     HE1
CONNECT  HAN+H  HE1 s         0     CE1
CONNECT  HAN+H  NE2 sp2       0    FE   0     CE1 0     CD2
CONNECT  HAN+H  CD2 sp2       0     NE2 0     CG  0     HD2
CONNECT  HAN+H  HD2 s         0     CD2
CONNECT  HAN+H  O   sp3       0    FE   0     H 
CONNECT  HAN+H  H   s         0     O

CHARGE   HAN0W FE     2.00
CHARGE   HAN0W  N A  -0.50
CHARGE   HAN0W  N B  -0.50
CHARGE   HAN0W  N C  -0.50
CHARGE   HAN0W  N D  -0.50
CHARGE   HAN0W  O    -0.80
CHARGE   HAN0W 1H     0.40
CHARGE   HAN0W 2H     0.40
CHARGE   HAN0W  CB    0.125
CHARGE   HAN0W  CG    0.155
CHARGE   HAN0W  NE2  -0.560
CHARGE   HAN0W  CE1   0.155
CHARGE   HAN0W  HE1   0.125
CHARGE   HAN0W  ND1  -0.400
CHARGE   HAN0W  HD1   0.400
CHARGE   HAN0W  CD2  -0.125
CHARGE   HAN0W  HD2   0.125

CHARGE   HAN+W FE     3.00
CHARGE   HAN+W  N A  -0.50
CHARGE   HAN+W  N B  -0.50
CHARGE   HAN+W  N C  -0.50
CHARGE   HAN+W  N D  -0.50
CHARGE   HAN+W  O    -0.80
CHARGE   HAN+W 1H     0.40
CHARGE   HAN+W 2H     0.40
CHARGE   HAN+W  CB    0.125
CHARGE   HAN+W  CG    0.155
CHARGE   HAN+W  NE2  -0.560
CHARGE   HAN+W  CE1   0.155
CHARGE   HAN+W  HE1   0.125
CHARGE   HAN+W  ND1  -0.400
CHARGE   HAN+W  HD1   0.400
CHARGE   HAN+W  CD2  -0.125
CHARGE   HAN+W  HD2   0.125

CHARGE   HAN0H FE     2.00
CHARGE   HAN0H  N A  -0.50
CHARGE   HAN0H  N B  -0.50
CHARGE   HAN0H  N C  -0.50
CHARGE   HAN0H  N D  -0.50
CHARGE   HAN0H  O    -1.20
CHARGE   HAN0H  H     0.20
CHARGE   HAN0H  CB    0.125
CHARGE   HAN0H  CG    0.155
CHARGE   HAN0H  NE2  -0.560
CHARGE   HAN0H  CE1   0.155
CHARGE   HAN0H  HE1   0.125
CHARGE   HAN0H  ND1  -0.400
CHARGE   HAN0H  HD1   0.400
CHARGE   HAN0H  CD2  -0.125
CHARGE   HAN0H  HD2   0.125

CHARGE   HAN+H FE     3.00
CHARGE   HAN+H  N A  -0.50
CHARGE   HAN+H  N B  -0.50
CHARGE   HAN+H  N C  -0.50
CHARGE   HAN+H  N D  -0.50
CHARGE   HAN+H  O    -1.20
CHARGE   HAN+H  H     0.20
CHARGE   HAN+H  CB    0.125
CHARGE   HAN+H  CG    0.155
CHARGE   HAN+H  NE2  -0.560
CHARGE   HAN+H  CE1   0.155
CHARGE   HAN+H  HE1   0.125
CHARGE   HAN+H  ND1  -0.400
CHARGE   HAN+H  HD1   0.400
CHARGE   HAN+H  CD2  -0.125
CHARGE   HAN+H  HD2   0.125

TORSION  HAN    H    O   FE    N A  f      0.000        12      0.00
TORSION  HAN   1H    O   FE    N A  f      0.000        12      0.00

